This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • ga2o3.inp: Sample CP2K input file corresponding to a hybrid functional calculation of the Ga2O3/AlN interface.
  • ga2o3_aln.xyz: Relaxed geometries (in .xyz format) for the Ga2O3/AlN interface (AlN substrate) obtained using the semilocal PBE functional.
  • aln_ga2o3.xyz: Relaxed geometries (in .xyz format) for the Ga2O3/AlN interface (Ga2O3 substrate) obtained using the semilocal PBE functional.
  • ga2o3_gan.xyz: Relaxed geometries (in .xyz format) for the Ga2O3/GaN interface (GaN substrate) obtained using the semilocal PBE functional.